N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H26N2O — CID 162459721

IUPACN-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CC2CC2N1
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-15-14(17)13-10-11-9-12(11)16-13/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyZJALOZSHFPOXEM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.21
Rot. Bonds8

About N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459721) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459721
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CC2CC2N1
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-15-14(17)13-10-11-9-12(11)16-13/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyZJALOZSHFPOXEM-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(1S,3S,5S)-N-(2,2,2-trifluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131043154
(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
(1S,3S,5S)-N-(cyclobutylmethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131008534
N-[4-(diethylamino)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119291988
methyl 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119268693
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795254
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119289828
1-N,3-N,5-N-tris[(Z)-icos-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 87832718
1-N,3-N,5-N-tris(icos-9-enyl)cyclohexane-1,3,5-tricarboxamide
CID 91306544
cis-(1S,5R)-1-N,5-N-didodecyl-3-N-[(Z)-octadec-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 69431968

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459721) is N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CCCCCCCCNC(=O)C1CC2CC2N1.
What is the InChIKey of N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ZJALOZSHFPOXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-15-14(17)13-10-11-9-12(11)16-13/h11-13,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).